Geometry & MOs

Info

ID:

420598

PubChem CID:

135114197

Reduced:

N9C18H23 (1)

Stoich.:

A9B18C23 (1)

Weight, g/mol:

824.422111

ΔHf, kcal/mol:

104.39

Dipole, Da:

6.95

IP(EA), eV:

 -8.58(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,12R,18S)-12-(1H-indol-3-ylmethyl)-6-[(4-methoxyphenyl)methyl]-16-(2-methoxypyridine-3-carbonyl)-3-methyl-9-(2-methylpropyl)-18-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C4=NC(=NC5=C4NC=N5)N

DOS

IR

Vibrations